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Ground-based and additional science support for SMILE 被引量:2
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作者 J.A.Carter M.Dunlop +46 位作者 C.Forsyth K.Oksavik E.Donovon A.Kavanagh S.E.Milan T.Sergienko R.C.Fear D.G.Sibeck M.Connors T.Yeoman X.Tan M.G.G.T.Taylor K.McWilliams J.Gjerloev R.Barnes D.D.Billet G.Chisham A.Dimmock M.P.Freeman D.-S.Han M.D.Hartinger S.-Y.W.Hsieh Z.-J.Hu M.K.James L.Juusola K.Kauristie E.A.Kronberg M.Lester J.Manuel J.Matzka I.McCrea Y.Miyoshi J.Rae L.Ren F.Sigernes E.Spanswick K.Sterne A.Steuwer T.Sun M.-T.Walach B.Walsh C.Wang J.Weygand J.Wild J.Yan J.Zhang Q.-H.Zhang 《Earth and Planetary Physics》 EI CSCD 2024年第1期275-298,共24页
The joint European Space Agency and Chinese Academy of Sciences Solar wind Magnetosphere Ionosphere Link Explorer(SMILE)mission will explore global dynamics of the magnetosphere under varying solar wind and interplane... The joint European Space Agency and Chinese Academy of Sciences Solar wind Magnetosphere Ionosphere Link Explorer(SMILE)mission will explore global dynamics of the magnetosphere under varying solar wind and interplanetary magnetic field conditions,and simultaneously monitor the auroral response of the Northern Hemisphere ionosphere.Combining these large-scale responses with medium and fine-scale measurements at a variety of cadences by additional ground-based and space-based instruments will enable a much greater scientific impact beyond the original goals of the SMILE mission.Here,we describe current community efforts to prepare for SMILE,and the benefits and context various experiments that have explicitly expressed support for SMILE can offer.A dedicated group of international scientists representing many different experiment types and geographical locations,the Ground-based and Additional Science Working Group,is facilitating these efforts.Preparations include constructing an online SMILE Data Fusion Facility,the discussion of particular or special modes for experiments such as coherent and incoherent scatter radar,and the consideration of particular observing strategies and spacecraft conjunctions.We anticipate growing interest and community engagement with the SMILE mission,and we welcome novel ideas and insights from the solar-terrestrial community. 展开更多
关键词 MAGNETOSPHERE IONOSPHERE magnetosphere-ionosphere coupling ground-based experimentation SMILE CONJUNCTIONS MISSIONS
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基于MRI和血流动力学仿真的主动脉缩窄计算机辅助诊断系统
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作者 史宇兵 Israel Valverde +1 位作者 Patricia V.Lawford D.Rodney Hose 《中国医学物理学杂志》 CSCD 2023年第1期126-132,共7页
目前用于心脑血管系统疾病的计算机辅助诊断系统比较少,本研究基于参加欧盟FP7 euHeart项目所做的工作,以对主动脉缩窄的处理为例,介绍一个基于核磁共振成像(MRI)和血流动力学计算的心脑血管疾病计算机辅助诊断系统,对系统的结构、功能... 目前用于心脑血管系统疾病的计算机辅助诊断系统比较少,本研究基于参加欧盟FP7 euHeart项目所做的工作,以对主动脉缩窄的处理为例,介绍一个基于核磁共振成像(MRI)和血流动力学计算的心脑血管疾病计算机辅助诊断系统,对系统的结构、功能和工作流程进行详细描述。该系统以患者病变血管的MRI图像和在颈动脉和股动脉处测得的血压波形为输入信息,通过图像处理模块、生理数据处理模块、计算网格生成模块以及流体动力学计算模块对这些数据进行分析处理,输出跨缩窄段的压差以辅助评估对患者进行干预手术的必要性,并输出病变血管段的流速分布、剪切应力分布等血流状态信息用于估算血流异常对血管内皮以及血细胞造成潜在机械损伤的程度。以一个典型病例的处理结果为例,对所开发的系统进行初步测试,结果表明所开发的系统运行结果准确可靠。本系统对于开发其他心脑血管疾病计算机辅助诊断系统具有借鉴意义。 展开更多
关键词 心脑血管疾病 计算机辅助诊断系统 核磁共振成像 血流动力学计算 计算机仿真
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Analysis of the SBP-SAT Stabilization for Finite Element Methods Part Ⅱ:Entropy Stability
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作者 R.Abgrall J.Nordström +1 位作者 P.Öffner S.Tokareva 《Communications on Applied Mathematics and Computation》 2023年第2期573-595,共23页
In the hyperbolic research community,there exists the strong belief that a continuous Galerkin scheme is notoriously unstable and additional stabilization terms have to be added to guarantee stability.In the first par... In the hyperbolic research community,there exists the strong belief that a continuous Galerkin scheme is notoriously unstable and additional stabilization terms have to be added to guarantee stability.In the first part of the series[6],the application of simultaneous approximation terms for linear problems is investigated where the boundary conditions are imposed weakly.By applying this technique,the authors demonstrate that a pure continu-ous Galerkin scheme is indeed linearly stable if the boundary conditions are imposed in the correct way.In this work,we extend this investigation to the nonlinear case and focus on entropy conservation.By switching to entropy variables,we provide an estimation of the boundary operators also for nonlinear problems,that guarantee conservation.In numerical simulations,we verify our theoretical analysis. 展开更多
关键词 Continuous Galerkin Entropy stability Simultaneous approximation terms Initial-boundary value problem Hyperbolic conservation laws
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Sparsity Modulation for 6G Communications
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作者 Jun Li Shuping Dang +2 位作者 Jia Hou Marco Di Renzo Mohamed-Slim Alouini 《China Communications》 SCIE CSCD 2023年第10期I0002-I0005,共4页
Sparsity modulation is a promising technology for the sixth generation(6G)of communication networks,which satisfies the high requirements in terms of spectral efficiency(SE)and energy efficiency(EE).Currently,many rep... Sparsity modulation is a promising technology for the sixth generation(6G)of communication networks,which satisfies the high requirements in terms of spectral efficiency(SE)and energy efficiency(EE).Currently,many representative sparsity modulation schemes,such as spatial modulation,index modulation,media-based modulation,reconfigurable intelligent surface(RIS)-based/reflecting modulation,and subcarrier number modulation,have attracted the attention of the wireless research community.Different from conventional amplitude-phase modulation schemes,sparsity modulation employs one or more modulation dimension(s)in addition to the conventional amplitude-phase constellation,so as to form higher-dimensional modulation schemes,which considerably enhance the SE at a reduced implementation complexity under proper system configurations.It is worth noting that the modulation dimensions in current sparsity modulation schemes are not fully explored due to limited resources. 展开更多
关键词 DIMENSIONS NETWORKS DIMENSION
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基于心脏电生理模型的心律失常机制研究进展 被引量:14
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作者 白杰云 王宽全 张恒贵 《生物化学与生物物理进展》 SCIE CAS CSCD 北大核心 2016年第2期128-140,共13页
揭示发病机制是心律失常诊断、治疗、药物研发和设备设计的关键.整合当前在心脏分子生物学、生物化学、生理学及解剖学方面的最新成果,构建从离子通道、心肌细胞、心肌纤维、心肌组织、心脏器官到躯体各个层次的多尺度多模态心脏电生理... 揭示发病机制是心律失常诊断、治疗、药物研发和设备设计的关键.整合当前在心脏分子生物学、生物化学、生理学及解剖学方面的最新成果,构建从离子通道、心肌细胞、心肌纤维、心肌组织、心脏器官到躯体各个层次的多尺度多模态心脏电生理模型,用于系统研究微观局部变化发生、发展、转化为宏观心律失常表现的过程,将彻底改变传统从基因突变、蛋白质表达、细胞电生理、临床表现单独研究心律失常的方式,实现微观与宏观研究的统一,使心脏电生理模型成为系统研究心律失常发病机制的有力手段.本文综述了心脏电生理模型的构建方法和研究进展,讨论了多尺度心脏电生理模型在揭示心律失常机制研究中的作用和地位,给出了基于心脏电生理模型心律失常研究的挑战和重要发展方向. 展开更多
关键词 系统生物学 生理组学 计算心脏学 虚拟心脏 心律失常 心脏电生理模型 建模与仿真
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高纬向阳侧磁层顶通量传输事件的特性研究——通量管轴线方位及运动分析 被引量:5
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作者 姚丽 刘绍亮 +5 位作者 金曙平 刘振兴 史建魁 A alogh H Reme P W Daly 《地球物理学报》 SCIE EI CAS CSCD 北大核心 2005年第6期1217-1225,共9页
本文分析了2001年2月和3月期间ClusterⅡ穿越磁层顶前后的观测资料,检测到13个通量传输事件(FTEs).用多颗卫星磁场测量资料的最小方差分析(MVAB)方法确定FTE的管轴方向(其中6个方向较可靠).FTE管轴方向的分布和低纬处不同,在磁顶法线坐... 本文分析了2001年2月和3月期间ClusterⅡ穿越磁层顶前后的观测资料,检测到13个通量传输事件(FTEs).用多颗卫星磁场测量资料的最小方差分析(MVAB)方法确定FTE的管轴方向(其中6个方向较可靠).FTE管轴方向的分布和低纬处不同,在磁顶法线坐标系LMN中对M轴有较大偏离,比较靠近L轴.deHoffmann-Teller(HT)分析指出,13个FTEs都存在一个很好的HT参考系,表明它们以一个准稳的MHD结构运动.对垂直于管轴方向的运动分析表明FTEs并不一定和背景等离子体一起对流,它们可快于或慢于背景流,但FTEs的运动和背景流基本沿相同方向,其间可有一不大的夹角.在HT坐标系中,10个FTEs的等离子体速度接近零,其他3个FTEs的等离子体速度约为局地Alfven波速的14%,都不符合Walen关系.其中北半球事件的Walen曲线为正斜率,南半球事件为负斜率,这说明等离子体沿磁力线(北半球顺着磁场,南半球逆着磁场)流向磁层. 展开更多
关键词 通量传输事件 CLUSTER Ⅱ观测 磁场重联 最小方差法 HT分析
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^(19)F+^(27)Al深部非弹性碰撞产物的角分布
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作者 董玉川 王琦 +12 位作者 李松林 段利敏 吴和宇 徐华根 陈若富 徐瑚珊 韩建龙 李志常 路秀琴 赵葵 周平 刘建成 Sergey Yu-kun 《原子核物理评论》 CAS CSCD 北大核心 2004年第4期387-388,共2页
完成了19F+27Al深部非弹性碰撞产物的角分布测量.初步分析了反应产物B,C,N,O,F,Ne,Na,Mg和Al的实验室系角分布,展现出深部非弹性反应机制的特点,显示了反应系统随时间的演化过程.
关键词 非弹性碰撞 角分布 反应产物 演化过程 时间 实验室 深部 性反应 机制 分析
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MOCVD过程中金属有机源(C_3H_7)_2Te和(CH_3)_2Cd热裂解机理质谱实时研究
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作者 桑文斌 K.Durose +1 位作者 A.W.Brinkman J.Woods 《化学学报》 SCIE CAS CSCD 北大核心 1997年第6期578-584,共7页
采用质谱技术实时研究了金属有机源DIPTe和DMCd在MOCVD反应器中热裂解的性质.着重分析了可能发生的气相反应及热裂解机理,并探讨了在CdTe,HgCdTe实际生长条件下两个有机源之间可能发生的相互作用及其对热裂解温度的影响.
关键词 半导体化合物 碲化镉 MOCVD 热裂解 质谱
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行星际磁场与磁尾磁通量绳形成的关系 被引量:2
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作者 张永存 刘振兴 +2 位作者 沈超 E.Lucek H.Réme 《空间科学学报》 CAS CSCD 北大核心 2008年第2期97-101,共5页
收集了Cluster卫星在2001-2005年间观测到的磁尾磁通量绳事件,并对磁通量绳(magnetic flux rope)形成及其内部磁场结构与行星际磁场(IMF)的关系作了统计研究.考虑磁通量绳被观测到时行星际磁场的条件,在所有73个磁通量绳事件中,行星际磁... 收集了Cluster卫星在2001-2005年间观测到的磁尾磁通量绳事件,并对磁通量绳(magnetic flux rope)形成及其内部磁场结构与行星际磁场(IMF)的关系作了统计研究.考虑磁通量绳被观测到时行星际磁场的条件,在所有73个磁通量绳事件中,行星际磁场By分量占有主导地位的事件有80%,且78%的事件具有与行星际磁场By分量相同方向的核心场.行星际磁场通过在磁层顶与地球磁场相互作用改变南北等离子体片内磁场相对方向,形成有利于磁通量绳形成的磁场位形,并且行星际磁场By分量的方向对磁通量绳内部核心场的方向具有决定性影响.从统计结果来看,磁通量绳的形成并不会依赖于行星际磁场Bz分量的方向. 展开更多
关键词 磁尾 等离子体片 磁通量绳 行星际磁场
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突触素对窦房结细胞膜电压的影响 被引量:1
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作者 马文洋 张季谦 +1 位作者 王萌 张恒贵 《安徽师范大学学报(自然科学版)》 CAS 北大核心 2011年第6期537-541,共5页
利用张恒贵等人构造的兔子窦房结细胞实验模型,通过仿真模拟研究了窦房结中突触素的含量对窦房结膜电压的影响.模拟结果发现,一方面利用该模型可以重现有生理缺陷的窦房结异常搏动现象,这与临床上观察到的,老年人或者长期酗酒者的心脏... 利用张恒贵等人构造的兔子窦房结细胞实验模型,通过仿真模拟研究了窦房结中突触素的含量对窦房结膜电压的影响.模拟结果发现,一方面利用该模型可以重现有生理缺陷的窦房结异常搏动现象,这与临床上观察到的,老年人或者长期酗酒者的心脏因窦房结中突触素含量减少导致窦房结不能正常起搏,甚至心脏猝死现象相吻合;另一方面,通过模拟对比分析发现,突触素含量降低的影响主要表现在两个方面,降低钙离子通道的导电性能,减少乙酰胆碱的分泌,这两种影响都直接导致窦房结细胞的振动性能的降低.以上结果将有助于揭示窦房结中突触素减少与心脏体系的异常起搏之间的内在联系,并对预防和诊断心源性猝死或病态窦房结综合症提供一定的理论帮助. 展开更多
关键词 突触素 窦房结 仿真模拟 异常搏动
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利用Java编程对窦房结体系搏动过程进行视图仿真 被引量:3
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作者 陈春磊 张季谦 +2 位作者 梁立嗣 马文洋 张恒贵 《中国心脏起搏与心电生理杂志》 2012年第2期156-159,共4页
目的动态观察窦房结起搏活动随外界刺激的演变过程,揭示传导阻滞与心律失常之间的联系。方法以窦房结细胞模型为研究对象,利用Java语言编程,对窦房结起搏活动进行视图仿真研究。首先,利用其视图功能,将复杂体系各控制参量设置为面板上... 目的动态观察窦房结起搏活动随外界刺激的演变过程,揭示传导阻滞与心律失常之间的联系。方法以窦房结细胞模型为研究对象,利用Java语言编程,对窦房结起搏活动进行视图仿真研究。首先,利用其视图功能,将复杂体系各控制参量设置为面板上不同按钮,通过点击按钮观察膜电压随控制参数变化的情况;其次,添加恰当的鼠标响应效果,观察不同条件下的视图效果。结果加入外界刺激对神经系统的调控作用,调节细胞死亡比例或钠电导等控制参量,模拟窦房结体系在体的搏动过程,观察搏动电信号传导受阻现象,与临床观察到的心律失常症状相吻合;利用视图仿真,动态跟踪不同参数条件下,膜电压产生及传导的演变过程,直观形象地模拟了窦房结体系动力学过程。结论利用Java编程的视图仿真可直观了解传导阻滞与心律失常之间的内在联系,模拟过程直观形象,方便明了。 展开更多
关键词 生物医学工程学 视图仿真 JAVA编程 窦房结细胞 起搏过程
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Bivariate Wavelet Analysis of Asia Monsoon and ENSO 被引量:21
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作者 Lonnie Hudgins 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 1996年第3期299-312,共14页
This paper employs some recently developed bivariate wavelet analysis techniques to study the correlation between Asia monsoon and E1 Nino southern oscillation (ENSO).Various energy spectral densities are defined for ... This paper employs some recently developed bivariate wavelet analysis techniques to study the correlation between Asia monsoon and E1 Nino southern oscillation (ENSO).Various energy spectral densities are defined for waveiel transforms,analogous to those used in conventional Fourier analysis.Some comparisons are made by applying both wavelet and Fourier spectral methods (o the data.The wavelet analysis shows evidence of some relationship between Asia monsoon and ENSO,which the Fourier analysis resolves poorly.Correlation on several time scales,ranging from 2-4 years,11 years,and 22 years,become apparent with the wavelet cross-spectrum.Finally,the warelet cross-transform provides time localization of the distinctive features within the data record. 展开更多
关键词 WAVELET MONSOON ENSO
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Space time fractional KdV Burgers equation for dust acoustic shock waves in dusty plasma with non-thermal ions 被引量:2
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作者 Emad K.El-Shewy Abeer A.Mahmoud +2 位作者 Ashraf M.Tawfik Essam M.Abulwafa Ahmed Elgarayhi 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第7期316-322,共7页
The KdV-Burgers equation for dust acoustic waves in unmagnetized plasma having electrons, singly charged non- thermal ions, and hot and cold dust species is derived using the reductive perturbation method. The Boltzma... The KdV-Burgers equation for dust acoustic waves in unmagnetized plasma having electrons, singly charged non- thermal ions, and hot and cold dust species is derived using the reductive perturbation method. The Boltzmann distribution is used for electrons in the presence of the cold (hot) dust viscosity coefficients. The semi-inverse method and Agrawal variational technique are applied to formulate the space-time fractional KdV-Burgers equation which is solved using the fractional sub-equation method. The effect of the fractional parameter on the behavior of the dust acoustic shock waves in the dusty plasma is investigated. 展开更多
关键词 dust-acoustic waves reductive perturbation method modified Riemann-Liouville fractionalderivative space-time fractional KdV-Burgers equation
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Level crossing in a two-photon Jaynes-Cummings model 被引量:3
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作者 任学藻 丛红璐 +1 位作者 廖旭 黎雷 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第5期279-282,共4页
In this paper,the energy spectrum of the two-photon Jaynes-Cummings model(TPJCM) is calculated exactly in the non-rotating wave approximation(non-RWA),and we study the level-crossing problem by means of fidelity.A... In this paper,the energy spectrum of the two-photon Jaynes-Cummings model(TPJCM) is calculated exactly in the non-rotating wave approximation(non-RWA),and we study the level-crossing problem by means of fidelity.A narrow peak of the fidelity is observed at the level-crossing point,which does not appear at the avoided-crossing point.Therefore fidelity is perfectly suited for detecting the level-crossing point in the energy spectrum. 展开更多
关键词 level crossing FIDELITY two-photon Jaynes-Cummings model
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Approximate solutions of Klein-Gordon equation with improved Manning-Rosen potential in D-dimensions using SUSYQM 被引量:3
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作者 A.N.Ikot H.Hassanabadi +3 位作者 H.P.Obong Y.E.Chad Umoren C.N.Isonguyo B.H.Yazarloo 《Chinese Physics B》 SCIE EI CAS CSCD 2014年第12期38-43,共6页
In this paper, we present solutions of the Klein–Gordon equation for the improved Manning–Rosen potential for arbitrary l state in d-dimensions using the supersymmetric shape invariance method. We obtained the energ... In this paper, we present solutions of the Klein–Gordon equation for the improved Manning–Rosen potential for arbitrary l state in d-dimensions using the supersymmetric shape invariance method. We obtained the energy levels and the corresponding wave functions expressed in terms of Jacobi polynomial in a closed form for arbitrary l state. We also calculate the oscillator strength for the potential. 展开更多
关键词 Klein–Gordon equation improved Manning–Rosen potential supersymmetric quantum mechanics(SUSYQM)
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Quantum Squeezing of Dark Solitons in Optical Fibers 被引量:1
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作者 G.R.Honarasa M.Hatami M.K.Tavassoly 《Communications in Theoretical Physics》 SCIE CAS CSCD 2011年第8期322-326,共5页
在纤维的黑暗 soliton 繁殖的量子论基于 linearization 近似被学习。当时,在光子数字,阶段,位置(时间) 和使量子化的黑暗 solitons 的动量的无常是计算的。最后,压榨黑暗 soliton 被使用 homodyne 察觉并且与明亮的 soliton 大小... 在纤维的黑暗 soliton 繁殖的量子论基于 linearization 近似被学习。当时,在光子数字,阶段,位置(时间) 和使量子化的黑暗 solitons 的动量的无常是计算的。最后,压榨黑暗 soliton 被使用 homodyne 察觉并且与明亮的 soliton 大小写相比调查。 展开更多
关键词 量子理论 暗孤子 光纤 压缩 线性近似 孤子传输 零差检测 光子数
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Reduced Sensitivity of Tropical Cyclone Intensity and Size to Sea Surface Temperature in a Radiative-Convective Equilibrium Environment 被引量:1
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作者 Shuai WANG Ralf TOUMI 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 2018年第8期85-97,共13页
It has been challenging to project the tropical cyclone (TC) intensity, structure and destructive potential changes in a warming climate. Here, we compare the sensitivities of TC intensity, size and destructive pote... It has been challenging to project the tropical cyclone (TC) intensity, structure and destructive potential changes in a warming climate. Here, we compare the sensitivities of TC intensity, size and destructive potential to sea surface warming with and without a pre-storm atmospheric adjustment to an idealized state of Radiative-Convective Equilibrium (RCE). Without RCE, we find large responses of TC intensity, size and destructive potential to sea surface temperature (SST) changes, which is in line with some previous studies. However, in an environment under RCE, the TC size is almost insensitive to SST changes, and the sensitivity of intensity is also much reduced to 3% ~C-1-4% ~C-1. Without the pre-storm RCE adjustment, the mean destructive potential measured by the integrated power dissipation increases by about 25% ~C-1 during the mature stage. However, in an environment under RCE, the sensitivity of destructive potential to sea surface warming does not change significantly. Further analyses show that the reduced response of TC intensity and size to sea surface warming under RCE can be explained by the reduced thermodynamic disequilibrium between the air boundary layer and the sea surface due to the RCE adjustment. When conducting regional-scale sea surface warming experiments for TC case studies, without any RCE adjustment the TC response is likely to be unrealistically exaggerated. The TC intensity-temperature sensitivity under RCE is very similar to those found in coupled climate model simulations. This suggests global mean intensity projections under climate change can be understood in terms of a thermodynamic response to temperature with only a minor contribution from any changes in large-scale dynamics. 展开更多
关键词 tropical cyclone sea surface temperature radiative-convective equilibrium intensity SIZE destructive potential
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PRESSURE-VELOCITY EQUILIBRIUM HYDRODYNAMIC MODELS 被引量:1
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作者 John W.Grove 《Acta Mathematica Scientia》 SCIE CSCD 2010年第2期563-594,共32页
This article describes mathematical models for phase separated mixtures of materials that are in pressure and velocity equilibrium but not necessarily temperature equilibrium. General conditions for constitutive model... This article describes mathematical models for phase separated mixtures of materials that are in pressure and velocity equilibrium but not necessarily temperature equilibrium. General conditions for constitutive models for such mixtures that exhibit a single mixture sound speed are discussed and specific examples are described. 展开更多
关键词 Euler equations multiple phase mixtures non-equilibrium temperature mixtures
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Pseudospin symmetric solutions of the Dirac equation with the modified Rosen-Morse potential using Nikiforov-Uvarov method and supersymmetric quantum mechanics approach 被引量:1
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作者 陈文利 I B Okon 《Chinese Physics B》 SCIE EI CAS CSCD 2022年第5期107-112,共6页
Employing the Pekeris-type approximation to deal with the pseudo-centrifugal term,we analytically study the pseudospin symmetry of a Dirac nucleon subjected to equal scalar and vector modified Rosen-Morse potential in... Employing the Pekeris-type approximation to deal with the pseudo-centrifugal term,we analytically study the pseudospin symmetry of a Dirac nucleon subjected to equal scalar and vector modified Rosen-Morse potential including the spin-orbit coupling term by using the Nikiforov-Uvarov method and supersymmetric quantum mechanics approach.The complex eigenvalue equation and the total normalized wave functions expressed in terms of Jacobi polynomial with arbitrary spin-orbit coupling quantum number k are presented under the condition of pseudospin symmetry.The eigenvalue equations for both methods reproduce the same result to affirm the mathematical accuracy of analytical calculations.The numerical solutions obtained for different adjustable parameters produce degeneracies for some quantum number. 展开更多
关键词 Dirac equation modified Rosen-Morse potential Nikiforov-Uvarov method supersymmetric quantum mechanics approach
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First Principles Study on Encapsulation of Alkali Metals into ZnO Nanocage 被引量:1
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作者 Mohammad T. Baei Ali Ahmadi Peyghan Zargham Bagheri 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2012年第6期671-675,I0003,共6页
进 Zn12O12 nanocage 的碱金属(李, Na, K,和 Rb ) 的封装用密度被调查了功能的理论。李和 Na 原子的封装被发现在 298 K 和 100 kPa 热力学地有利,与否定吉布斯一起大约 130.12 和 68.43 kJ/mol 的免费精力变化 G 分别地。由增加... 进 Zn12O12 nanocage 的碱金属(李, Na, K,和 Rb ) 的封装用密度被调查了功能的理论。李和 Na 原子的封装被发现在 298 K 和 100 kPa 热力学地有利,与否定吉布斯一起大约 130.12 和 68.43 kJ/mol 的免费精力变化 G 分别地。由增加包含的原子的尺寸这个过程变得不太有利以便在 K 和 Rb 封装的情况中 G 价值是积极的。结果显示 LUMO,费密水平,并且特殊,簇的人被转移到更高的精力以便簇的 HOMO-LUMO 差距显著地在所有案例中被缩小。在碱金属的封装以后,簇的工作功能由于费密水平的移动被减少到更高的精力。因此,从 Zn12O12 簇的射出的电子电流密度将被增加。 展开更多
关键词 金属封装 碱金属 第一性原理 氧化锌 密度泛函理论 NA原子 费米能级 自由能变
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